1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide

C11H7F3N2O — CID 80592357

IUPAC1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C11H7F3N2O/c12-6-3-7(13)9(8(14)4-6)16-10(17)11(5-15)1-2-11/h3-4H,1-2H2,(H,16,17)
InChIKeyCUDUBDPJBXKWKI-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.35
Rot. Bonds2

About 1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide

1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide (PubChem CID 80592357) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
PubChem CID80592357
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2c(F)cc(F)cc2F)CC1
InChIInChI=1S/C11H7F3N2O/c12-6-3-7(13)9(8(14)4-6)16-10(17)11(5-15)1-2-11/h3-4H,1-2H2,(H,16,17)
InChIKeyCUDUBDPJBXKWKI-UHFFFAOYSA-N
XLogP2.35
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4,6-difluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 83087291
1-cyano-3-methyl-N-(2,4,6-trifluorophenyl)cyclobutane-1-carboxamide
CID 80592255
N-(3-chloro-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 107366211
1-cyano-N-(2,3,5,6-tetramethylphenyl)cyclopropane-1-carboxamide
CID 115181388
1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 103586091
N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 80598354
N-(2-bromo-5-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 107625940
1-cyano-N-(2,3-difluorophenyl)cyclopropane-1-carboxamide
CID 80598733
N-(4-bromo-2-fluorophenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458910
1-cyano-N-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 80598456
1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 107528618

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide (CID 80592357) is 1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide is N#CC1(C(=O)Nc2c(F)cc(F)cc2F)CC1.
What is the InChIKey of 1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is CUDUBDPJBXKWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-6-3-7(13)9(8(14)4-6)16-10(17)11(5-15)1-2-11/h3-4H,1-2H2,(H,16,17).
What are the key properties of 1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide?
1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 240.18 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,4,6-trifluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80592357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).